Chemical Properties of Amitriptyline M(Nor-HO), acetylated

InChI

InChI=1S/C23H25NO3/c1-16(25)24(3)14-6-9-23-21-8-5-4-7-18(21)10-11-19-15-20(27-17(2)26)12-13-22(19)23/h4-5,7-9,12-13,15H,6,10-11,14H2,1-3H3/b23-9+

InChI Key

QACZKVNMTAMMPC-NUGSKGIGSA-N

Formula

C23H25NO3

SMILES

CC(=O)Oc1ccc2c(c1)CCc1ccccc1C2=CCCN(C)C(C)=O

Molecular Weight¹

363.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[916.49; 992.45]	J/mol×K	[954.59; 1188.47]
Cp,gas	916.49	J/mol×K	954.59	Joback Calculated Property
Cp,gas	931.10	J/mol×K	993.57	Joback Calculated Property
Cp,gas	944.77	J/mol×K	1032.55	Joback Calculated Property
Cp,gas	957.62	J/mol×K	1071.53	Joback Calculated Property
Cp,gas	969.78	J/mol×K	1110.51	Joback Calculated Property
Cp,gas	981.35	J/mol×K	1149.49	Joback Calculated Property
Cp,gas	992.45	J/mol×K	1188.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Amitriptyline M(Nor-HO), acetylated.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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